17-(3-bromophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
Chemical Structure Depiction of
17-(3-bromophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
17-(3-bromophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
Compound characteristics
| Compound ID: | 6105-0814 |
| Compound Name: | 17-(3-bromophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C25 H16 Br N O4 |
| Smiles: | c1ccc2c(c1)C1C3C(C(N(C3=O)c3cccc(c3)[Br])=O)C2(C(O)=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.562 |
| logD: | 0.5516 |
| logSw: | -3.7015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | ABZHWZVVGOWDJC-UHFFFAOYSA-N |